tert-butyl 4-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)piperazine-1-carboxylate CAS Name: 4-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)piperazine-1-carboxylate Traditional Name: 4-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)CN=C3C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)CN=C3C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)28-14-12-27(13-15-28)19-11-7-10-18-21(17-8-5-4-6-9-17)25-16-20(29)26-22(18)19/h4-11H,12-16H2,1-3H3,(H,26,29)